Chemical ID: 7141126

COc1cc(ccc1O)C=C2C(=O)NC(=Nc3cccc4c3cccc4)S2
Chemical ID:
7141126
Name [?]:
5-[(4-hydroxy-3-methoxy-phenyl)methylene]-2-(1-naphthylimino)thiazolidin-4-one
SMILES [?]:
COc1cc(ccc1O)C=C2C(=O)NC(=Nc3cccc4c3cccc4)S2
InChi [?]:
InChI=1/C21H16N2O3S/c1-26-18-11-13(9-10-17(18)24)12-19-20(25)23-21(27-19)22-16-8-4-6-14-5-2-3-7-15(14)16/h2-12,24H,1H3,(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,25,24,19,26,20,23,18,6,7,4,10,5,21,22,17,8,3,11,12,15,16,14,9,13,2,27/rA:27nCOCCCCCCOCCCONCNCCCCCCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;w10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;d23;s24;s21d25;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H16N2O3S
All Atoms:43
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.82176
Area:576.129
Solvation:-4.58148
Coulombic:-53.3976
Bond Count [?]
All:30
Single:19
Double:11
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:376.429
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.87
LogP (Chemaxon):4.82

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue